PDB entry 4jvf



Warnings!

Structure
SpacegroupP 32 2 1
Cell dimensionsa: 55.910 Åb: 55.910 Åc: 116.670 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.40 Å

Experimental data
ReflectionsAll: 8659Test set: 0 (0.0%)
Resolution range27.95 Å2.40 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20700.21140.21100.2085
R-free0.25700.21300.25520.2559
σR-free 0.00730.00870.0087
R-free Z-score 8.602.301.85

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality11.5461.6141.552
2nd generation packing quality1-0.970-1.105-0.684
Ramachandran plot appearance10.3860.5390.560
Chi-1/Chi-2 rotamer normality1-2.617-1.930-0.797
Backbone conformation10.9991.0721.083
Bond length RMS Z-score20.9130.4010.394
Bond angle RMS Z-score20.9190.6190.607
Total number of bumps3221213
Unsatisfied H-bond donors/acceptors3121010
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues12
Significantly deteriorated residues25
Changes of all residuesPlot Plot

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